2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C9H13N5OS — CID 65198593

IUPAC2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1nnsc1-c1nc(C(N)C(C)C)no1
InChIInChI=1S/C9H13N5OS/c1-4(2)6(10)8-11-9(15-13-8)7-5(3)12-14-16-7/h4,6H,10H2,1-3H3
InChIKeyVROINDINFXCXEN-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.55
Rot. Bonds3

About 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 65198593) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID65198593
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCc1nnsc1-c1nc(C(N)C(C)C)no1
InChIInChI=1S/C9H13N5OS/c1-4(2)6(10)8-11-9(15-13-8)7-5(3)12-14-16-7/h4,6H,10H2,1-3H3
InChIKeyVROINDINFXCXEN-UHFFFAOYSA-N
XLogP1.55
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 65198593) is 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is Cc1nnsc1-c1nc(C(N)C(C)C)no1.
What is the InChIKey of 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is VROINDINFXCXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-4(2)6(10)8-11-9(15-13-8)7-5(3)12-14-16-7/h4,6H,10H2,1-3H3.
What are the key properties of 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 239.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 65198593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).